2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

C15H22N2O4 — CID 20810352

IUPAC2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCC(C)(C)Oc1ccc(CC(NC=O)C(=O)NCO)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-12-6-4-11(5-7-12)8-13(16-9-18)14(20)17-10-19/h4-7,9,13,19H,8,10H2,1-3H3,(H,16,18)(H,17,20)
InChIKeySHDFXDZYRCBGIV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.59
Rot. Bonds7

About 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (PubChem CID 20810352) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
PubChem CID20810352
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCC(C)(C)Oc1ccc(CC(NC=O)C(=O)NCO)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-12-6-4-11(5-7-12)8-13(16-9-18)14(20)17-10-19/h4-7,9,13,19H,8,10H2,1-3H3,(H,16,18)(H,17,20)
InChIKeySHDFXDZYRCBGIV-UHFFFAOYSA-N
XLogP0.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 2-formamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 143275907
[4-(3-amino-2-formamido-3-oxopropyl)phenyl] tert-butyl carbonate
CID 142107027
2-(methoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 174445019
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 7017901
methyl 2-[[3-(4-formylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 59798889
(2S)-2-(ethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 142706583
ethyl 2-[[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetate;hydrochloride
CID 131714055
benzyl N-[2-[[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 7410875
oxalic acid;prop-2-enyl (2S)-2-(hydroxyamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 46867573
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
tert-butyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
CID 3103082
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The IUPAC name of 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (CID 20810352) is 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The canonical SMILES for 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is CC(C)(C)Oc1ccc(CC(NC=O)C(=O)NCO)cc1.
What is the InChIKey of 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The InChIKey is SHDFXDZYRCBGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-12-6-4-11(5-7-12)8-13(16-9-18)14(20)17-10-19/h4-7,9,13,19H,8,10H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 20810352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).